(E)-3-azanyl-2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CCOC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1CCOC)/N

InChI

InChI=1S/C16H18N4O2S/c1-11(18)12(9-17)15(21)10-23-16-19-13-5-3-4-6-14(13)20(16)7-8-22-2/h3-6H,7-8,10,18H2,1-2H3/b12-11+